4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

C20H20O6 — CID 90097629

IUPAC4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCOc1cc2c(cc1OC)C1(O)Oc3cc(C(C)C)ccc3C1(O)C2=O
InChIInChI=1S/C20H20O6/c1-10(2)11-5-6-13-15(7-11)26-20(23)14-9-17(25-4)16(24-3)8-12(14)18(21)19(13,20)22/h5-10,22-23H,1-4H3
InChIKeyJEFNMPGFPRRXRL-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.45
Rot. Bonds3

About 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (PubChem CID 90097629) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
PubChem CID90097629
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCOc1cc2c(cc1OC)C1(O)Oc3cc(C(C)C)ccc3C1(O)C2=O
InChIInChI=1S/C20H20O6/c1-10(2)11-5-6-13-15(7-11)26-20(23)14-9-17(25-4)16(24-3)8-12(14)18(21)19(13,20)22/h5-10,22-23H,1-4H3
InChIKeyJEFNMPGFPRRXRL-UHFFFAOYSA-N
XLogP2.45
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (CID 90097629) is 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is COc1cc2c(cc1OC)C1(O)Oc3cc(C(C)C)ccc3C1(O)C2=O.
What is the InChIKey of 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is JEFNMPGFPRRXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-10(2)11-5-6-13-15(7-11)26-20(23)14-9-17(25-4)16(24-3)8-12(14)18(21)19(13,20)22/h5-10,22-23H,1-4H3.
What are the key properties of 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 356.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 90097629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).